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Chemical ID: 7029738

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)C

Chemical ID:

7029738

Name [?]:

1-(2-diethylaminoethyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one

SMILES [?]:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)C

InChi [?]:

InChI=1/C26H30N2O5/c1-4-27(5-2)12-13-28-23(18-8-6-17(3)7-9-18)22(25(30)26(28)31)24(29)19-10-11-20-21(16-19)33-15-14-32-20/h6-11,16,23,30H,4-5,12-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,33,2,4,29,31,28,32,18,19,6,7,25,24,22,30,27,17,20,21,10,9,15,11,12,3,8,16,14,13,26,23/E:(1,2)(4,5)(6,7)(8,9)/rA:33cCCNCCCCNCCCCOOCOCCCCCCOCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;s9;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀N₂O₅
All Atoms:	63
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6067
Area:	698.182
Solvation:	-5.84789
Coulombic:	-64.3877

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	450.527
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.95
LogP (Chemaxon):	0.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value